methyl 4-chloranyl-3-[1-(5-chloranyl-2-nitro-phenyl)-1-cyano-ethyl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[1-(5-chloranyl-2-nitro-phenyl)-1-cyano-ethyl]benzoate Openeye Name: methyl 4-chloro-3-[1-(5-chloro-2-nitro-phenyl)-1-cyano-ethyl]benzoate CAS Name: 4-chloro-3-[1-(5-chloro-2-nitrophenyl)-1-cyanoethyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[1-(5-chloro-2-nitrophenyl)-1-cyanoethyl]benzoate Traditional Name: 4-chloro-3-[1-(5-chloro-2-nitro-phenyl)-1-cyano-ethyl]benzoic acid methyl ester Formula: C17H12Cl2N2O4 MolecularWeight: 379.19418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=C(C=CC(=C1)C(=O)OC)Cl)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)(C1=C(C=CC(=C1)C(=O)OC)Cl)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12Cl2N2O4/c1-17(9-20,13-8-11(18)4-6-15(13)21(23)24)12-7-10(16(22)25-2)3-5-14(12)19/h3-8H,1-2H3